5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine

C15H24BrN3 — CID 103518322

IUPAC5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
SMILESCC(C)CC1(CNc2c(N)cncc2Br)CCCC1
InChIInChI=1S/C15H24BrN3/c1-11(2)7-15(5-3-4-6-15)10-19-14-12(16)8-18-9-13(14)17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyYZOSRYOEVZFCSB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.44
Rot. Bonds5

About 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine

5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine (PubChem CID 103518322) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
PubChem CID103518322
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
SMILESCC(C)CC1(CNc2c(N)cncc2Br)CCCC1
InChIInChI=1S/C15H24BrN3/c1-11(2)7-15(5-3-4-6-15)10-19-14-12(16)8-18-9-13(14)17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyYZOSRYOEVZFCSB-UHFFFAOYSA-N
XLogP4.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine (CID 103518322) is 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine is CC(C)CC1(CNc2c(N)cncc2Br)CCCC1.
What is the InChIKey of 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine?
The InChIKey is YZOSRYOEVZFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11(2)7-15(5-3-4-6-15)10-19-14-12(16)8-18-9-13(14)17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine?
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine has a molecular weight of 326.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).